2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde

C8H11N3O2 — CID 174291782

IUPAC2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde
SMILESCc1[nH]c(=O)nc(NCC=O)c1C
InChIInChI=1S/C8H11N3O2/c1-5-6(2)10-8(13)11-7(5)9-3-4-12/h4H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyNSJVFZAQIPPBPE-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.00
Rot. Bonds3

About 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde

2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde (PubChem CID 174291782) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde
PubChem CID174291782
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde
SMILESCc1[nH]c(=O)nc(NCC=O)c1C
InChIInChI=1S/C8H11N3O2/c1-5-6(2)10-8(13)11-7(5)9-3-4-12/h4H,3H2,1-2H3,(H2,9,10,11,13)
InChIKeyNSJVFZAQIPPBPE-UHFFFAOYSA-N
XLogP-0.00
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde?
The IUPAC name of 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde (CID 174291782) is 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde.
What is the SMILES notation for 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde?
The canonical SMILES for 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde is Cc1[nH]c(=O)nc(NCC=O)c1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde?
The InChIKey is NSJVFZAQIPPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-6(2)10-8(13)11-7(5)9-3-4-12/h4H,3H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde?
2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde has a molecular weight of 181.19 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-oxo-1H-pyrimidin-4-yl)amino]acetaldehyde is sourced from PubChem (CID 174291782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).